(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine

C11H14ClN3S — CID 104942456

IUPAC(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(c1ccc(Cl)s1)n1cncc1[C@@H](C)N
InChIInChI=1S/C11H14ClN3S/c1-7(13)9-5-14-6-15(9)8(2)10-3-4-11(12)16-10/h3-8H,13H2,1-2H3/t7-,8?/m1/s1
InChIKeyQWDLMCQJUZBXRQ-GVHYBUMESA-N
MW255.77 g/mol
LogP3.23
Rot. Bonds3

About (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 104942456) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID104942456
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(c1ccc(Cl)s1)n1cncc1[C@@H](C)N
InChIInChI=1S/C11H14ClN3S/c1-7(13)9-5-14-6-15(9)8(2)10-3-4-11(12)16-10/h3-8H,13H2,1-2H3/t7-,8?/m1/s1
InChIKeyQWDLMCQJUZBXRQ-GVHYBUMESA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942505
1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
CID 106564555
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
1-[1-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-amine
CID 79506894
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969505

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine (CID 104942456) is (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine is CC(c1ccc(Cl)s1)n1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is QWDLMCQJUZBXRQ-GVHYBUMESA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-7(13)9-5-14-6-15(9)8(2)10-3-4-11(12)16-10/h3-8H,13H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 255.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).